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In this study, we investigate excitonic properties of epitaxially grown WS2, which is of particular interest for various applications due to its potential for upscaling to wafer sized structures. Understanding the effect of the dielectric…

Recently, a disruptive idea was reported about the discovery of a new type of battery named Liquid Displacement Battery (LDB) comprising liquid metal electrodes and molten salt electrolyte. This cell featured a novel concept of a porous…

Chemical Physics · Physics 2021-11-16 Kashif Mushtaq , Ji Zhao , Norbert Weber , Adelio Mendes , Donald R. Sadoway

Metal-ion batteries are in huge demand to cope with the increasing need for renewable energy, especially in automobiles. In this work, we apply first-principle calculations to examine two-dimensional beryllium carbide (2D-Be2C) as a…

Materials Science · Physics 2025-11-03 Hetvi Jadav , Sadhana Matth , Himanshu Pandey

We investigate the Li2CuSb full-Heusler alloy using the first-principles electronic structure calculations and propose the electrochemical lithiation in this alloy. Band structure calculations suggest the presence of metallic nature in this…

Materials Science · Physics 2022-05-10 A. Shukla , S. Pandey , H. Pandey

Two dimensional (2D) semiconducting light absorbers, have recently considered as promising components to improve the efficiency in the photocatalytic hydrogen production via water splitting. In this work, by employing density functional…

Materials Science · Physics 2021-09-07 Fazel Shojaei , Bohayra Mortazavi , Xiaoying Zhuang , Maryam Azizi

The combination of high-quality Al2O3 dielectric and thiol chemistry passivation can effectively reduce the density of interface traps and Coulomb impurities of WS2, leading to a significant improvement of the mobility and a transition of…

Electronic properties of two-dimensional graphene superlattice made with partial hydrogenation were thoroughly studied via Density Functional Tight Binding approach (DFTB) which incorporates the tight-binding method into the density…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Ming Yang , Argo Nurbawono , Chun Zhang , Ariando , Yuan Ping Feng

To explore new constituents in two-dimensional materials and to combine their best in van der Waals heterostructures, are in great demand as being unique platform to discover new physical phenomena and to design novel functionalities in…

Conversion cathode materials are gaining interest for secondary batteries due to their high theoretical energy and power density. However, practical application as a secondary battery material is currently limited by practical issues such…

In this work a 1D finite volume based model using coupled meshes is introduced to capture potential and species distribution throughout the discharge process in a lithium bismuth liquid metal battery while neglecting hydrodynamic effects,…

Chemical Physics · Physics 2023-05-30 Carolina Duczek , Norbert Weber , Omar E. Godinez-Brizuela , Tom Weier

Two-dimensional van der Waals semiconductors are promising for future nanoelectronics. However, integrating high-k gate dielectrics for device applications is challenging as the inert van der Waals material surfaces hinder uniform…

Based on ab initio calculations, we examine the incorporation of Li atoms in the MoS2/graphene interface. We find that the intercalated Li atoms are energetically more stable than Li atoms adsorbed on the MoS2 surface. The intercalated…

Materials Science · Physics 2015-06-16 Roberto H. Miwa , Wanderla L. Scopel

We report successful deposition of high quantum efficiency (QE) bialkali antimonide K2CsSb photocathodes on graphene films. The results pave a pathway towards an ultimate goal of encapsulating technologically-relevant photocathodes for…

We demonstrate the first achievement of continuous-wave (CW) pumped second harmonic generation (SHG) in few- and mono-layer gallium selenide (GaSe) flakes, which are coated on silicon photonic crystal (PC) cavities. Because of ultrahigh…

Graphene demonstrated potential for practical applications owing to its excellent electronic and thermal properties. Typical graphene field-effect transistors and interconnects built on conventional SiO2/Si substrates reveal the breakdown…

Materials Science · Physics 2015-06-04 Jie Yu , Guanxiong Liu , Anirudha V. Sumant , Vivek Goyal , Alexander A. Balandin

A well-defined insulating layer is of primary importance in the fabrication of passive (e.g. capacitors) and active (e.g. transistors) components in integrated circuits. One of the most widely known 2-Dimensional (2D) dielectric materials…

The rise of flexible electronics calls for cost-effective and scalable batteries with good mechanical and electrochemical performance. In this work, we developed printable, polymer-based AgO-Zn batteries that feature flexibility,…

The commercial realization of lithium-sulfur (Li-S) batteries is obstructed because of rapid capacity fading due to lithium polysulfides (LiPSs) dissolution into the electrolyte. In order to enhance the efficiency and performance of the…

Materials Science · Physics 2020-01-16 Rahul Jayan , Md Mahbubul Islam

A safe lithium-sulfur (Li-S) battery employs a composite polymer electrolyte based on a poly(ethylene glycol) dimethyl ether (PEGDME) solid at room temperature. The electrolyte membrane enables a stable and reversible Li-S electrochemical…

Applied Physics · Physics 2021-10-27 Vittorio Marangon , Daniele Di Lecce , Luca Minnetti , Jusef Hassoun

The demand for lithium ion batteries (LIBs) on the market has gradually risen, with production increasing every year. To meet industrial needs, the development of digital twins designed to optimize LIB manufacturing processes is essential.…

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